In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGL03049AXI
Common NameTG(P-14:0/16:1(9Z)/15:0)
Systematic Name2-(9Z-hexadecenoyl)-3-pentadecanoyl-sn-glycerol
SynonymsTG(P-45:1); TG(P-14:0_15:0_16:1)
Exact Mass
746.6788 (neutral)    Calculate m/z:
FormulaC48H90O5
CategoryGlycerolipids [GL]
Main ClassTriradylglycerols [GL03]
Sub Class1Z-alkenyldiacylglycerols [GL0304]
PubChem Compound ID (CID)-
InChIKeyTUPFXHNMDUFRGH-VZSAJCOZSA-N
InChIInChI=1S/C48H90O5/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-48(50)53-46(44-51-4
3-40-37-34-31-28-24-21-18-15-12-9-6-3)45-52-47(49)41-38-35-32-29-26-23-20-17-14-
11-8-5-2/h19,22,40,43,46H,4-18,20-21,23-39,41-42,44-45H2,1-3H3/b22-19-,43-40-/t4
6-/m1/s1
SMILESC(OC(=O)CCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M+NH4]+)
StatusActive (generated by computational methods)